3-[(E)-octadec-9-enyl]phthalate

Systemtic Name: 3-[(E)-octadec-9-enyl]phthalate Openeye Name: 3-[(E)-octadec-9-enyl]phthalate CAS Name: 3-[(E)-octadec-9-enyl]phthalate IUPAC Name: 3-[(E)-octadec-9-enyl]phthalate Traditional Name: 3-[(E)-octadec-9-enyl]phthalate Formula: C26H38O4-2 MolecularWeight: 414.57752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C26H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-23(25(27)28)24(22)26(29)30/h9-10,18,20-21H,2-8,11-17,19H2,1H3,(H,27,28)(H,29,30)/p-2/b10-9+